Singlet biradical character of phenalenyl-based Kekulé hydrocarbon with naphthoquinoid structure

Takashi Kubo; Akihiro Shimizu; Mikio Uruichi; Kyuya Yakushi; Masayoshi Nakano; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Yasushi Morita; Kazuhiro Nakasuji

doi:10.1021/ol062604z

Singlet biradical character of phenalenyl-based Kekulé hydrocarbon with naphthoquinoid structure

Org Lett. 2007 Jan 4;9(1):81-4. doi: 10.1021/ol062604z.

Authors

Takashi Kubo¹, Akihiro Shimizu, Mikio Uruichi, Kyuya Yakushi, Masayoshi Nakano, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Yasushi Morita, Kazuhiro Nakasuji

Affiliation

¹ Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan. kubo@chem.sci.osaka-u.ac.jp

PMID: 17192090
DOI: 10.1021/ol062604z

Abstract

[reaction: see text] A new Kekulé polycyclic hydrocarbon with a singlet biradical index of 50% was synthesized. The singlet biradical character was assessed with UV and 1H-NMR spectroscopy, cyclic voltammetry, SQUID magnetic susceptibility measurement, and quantum chemical calculations.